(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CC2=CC3=C(C=C2)OCCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CC2=CC3=C(C=C2)OCCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O2/c1-15-18(21(22)25(23-15)17-6-4-3-5-7-17)14-24(2)13-16-8-9-19-20(12-16)27-11-10-26-19/h3-9,12H,10-11,13-14H2,1-2H3/p+1